REMARK  Name = BDB003999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.530   0.405  -0.364  0.00  0.00    +0.317 C 
ATOM      2  O   LIG    1        2.216   1.672   0.221  0.00  0.00    -0.378 OA
ATOM      3  N   LIG    1        0.806   1.817   0.204  0.00  0.00    -0.088 NA
ATOM      4  C   LIG    1        0.313   0.634   0.026  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1        1.323  -0.454  -0.071  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.129   0.354  -0.061  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.997   1.121  -0.847  0.00  0.00    +0.053 A 
ATOM      8 CL   LIG    1       -1.457   2.399  -1.877  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.366   0.824  -0.871  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.874  -0.237  -0.119  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.012  -1.009   0.654  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -1.651  -0.711   0.677  0.00  0.00    +0.134 A 
ATOM     13  F   LIG    1       -0.855  -1.470   1.444  0.00  0.00    -0.205 F 
ENDBRANCH   4   6
BRANCH   1  15
ATOM     14  O   LIG    1        4.566   0.355   1.023  0.00  0.00    -0.247 OA
ATOM     15  C   LIG    1        3.796  -0.171   0.238  0.00  0.00    +0.349 C 
BRANCH  15  16
ATOM     16  O   LIG    1        4.063  -1.415  -0.224  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        4.906  -1.648   0.223  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3